AG00AA1J

1221792-08-0 | 6-(Methylsulfonyl)nicotinaldehyde

AG00AA1J

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CAS Number	1221792-08-0
Catalog Number	AG00AA1J(AGN-PC-03EI7Y)
Chemical Name	6-(Methylsulfonyl)nicotinaldehyde
IUPAC Name	6-methylsulfonylpyridine-3-carbaldehyde
InChI	InChI=1S/C7H7NO3S/c1-12(10,11)7-3-2-6(5-9)4-8-7/h2-5H,1H3
InChI Key	CFNNBWFFIJXFND-UHFFFAOYSA-N
MDL Number	MFCD16140366
Molecular Formula	C7H7NO3S
Molecular Weight	185.2004
SMILES	S(=O)(=O)(C1(=NC=C(C=O)C=C1))C
Synonyms	6-(methylsulfonyl)nicotinaldehyde, 1221792-08-0, 6-methanesulfonylpyridine-3-carbaldehyde, methylsulfonylnicotinaldehyde, SCHEMBL7999568, CTK7H9625, DTXSID90617080, KS-000023RG, ZX-RL003017, 4222AA, ANW-56692, FCH921841, MFCD16140366, SBB090275, ZINC43827976, AKOS005072313, CE-0750, RP11038, 6-(methylsulfonyl)pyridine-3-carbaldehyde, OR303790, 6-(Methanesulfonyl)pyridine-3-carbaldehyde, AJ-108951, AX8208091, TR-071136, 3-Pyridinecarboxaldehyde, 6-(methylsulfonyl)-, C7H7NO3S,

Complexity	254
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	185.015g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	185.197g/mol
Monoisotopic Mass	185.015g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	72.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338-P304+P340-P405
Signal Words	danger
UN Code	UN 2811

Certificate of Analysis

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